Pr2MgInAg4
Alexandria ALEXAlex-ID: agm041900984 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
Pr(MgAg2)2 PrInAg PrAg2
2024-11-02 01:37:45.350724
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041900984).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm041900984
data_agm041900984
_cell_length_a 8.82303
_cell_length_b 8.82303
_cell_length_c 8.82303
_cell_angle_alpha 33.40243
_cell_angle_beta 33.40243
_cell_angle_gamma 33.40243
_cell_volume 185.36445
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.74680 0.74680 0.74680 1.00000
Pr2 Pr 0.25320 0.25320 0.25320 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.37826 0.37826 0.37826 1.00000
Ag2 Ag 0.87266 0.87266 0.87266 1.00000
Ag3 Ag 0.12734 0.12734 0.12734 1.00000
Ag4 Ag 0.62174 0.62174 0.62174 1.00000
获取直接链接